⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL21141582 | 0.94 | — | — | |
| SCHEMBL906752 | 0.86 | — | — | |
| SCHEMBL329617 | 0.85 | — | — | |
| SCHEMBL15854985 | 0.85 | — | — | |
| SCHEMBL4061383 | 0.84 | — | — | |
| SCHEMBL18186129 | 0.82 | — | — | |
| SCHEMBL16714860 | 0.80 | — | — | |
| SCHEMBL16389843 | 0.80 | — | — | |
| SCHEMBL17350596 | 0.79 | — | — | |
| SCHEMBL16813381 | 0.78 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160319045-A1 | MODIFIED DIENE ELASTOMER AND RUBBER COMPOSITION CONTAINING SAME | COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) | 2016-11-03 | — | — | US | disclosed |